N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine

C16H26N2 — CID 83219275

IUPACN-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2C(C)CCC2CC)cc1
InChIInChI=1S/C16H26N2/c1-4-15-9-6-13(3)18(15)16-10-7-14(8-11-16)12-17-5-2/h7-8,10-11,13,15,17H,4-6,9,12H2,1-3H3
InChIKeyUAWQJSXURBPCJS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.56
Rot. Bonds5

About N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine

N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 83219275) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
PubChem CID83219275
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2C(C)CCC2CC)cc1
InChIInChI=1S/C16H26N2/c1-4-15-9-6-13(3)18(15)16-10-7-14(8-11-16)12-17-5-2/h7-8,10-11,13,15,17H,4-6,9,12H2,1-3H3
InChIKeyUAWQJSXURBPCJS-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine (CID 83219275) is N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(N2C(C)CCC2CC)cc1.
What is the InChIKey of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is UAWQJSXURBPCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15-9-6-13(3)18(15)16-10-7-14(8-11-16)12-17-5-2/h7-8,10-11,13,15,17H,4-6,9,12H2,1-3H3.
What are the key properties of N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 83219275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).